#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i20 s VAL 2 N 0.00 4.14 0.68 3.15 1.01 -1.26 -1.23 120.40 126.89 1i20 s VAL 2 Ca 0.00 -1.29 -0.16 0.00 0.00 0.00 0.00 61.98 60.53 1i20 s VAL 2 Cb 0.00 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.92 1i20 s VAL 2 CO 0.00 -0.40 1.20 -0.36 0.00 0.00 0.00 175.10 175.54 1i20 s PHE 3 N 1.43 2.21 0.38 5.22 0.08 -0.50 -4.99 117.98 121.81 1i20 s PHE 3 Ca 0.02 1.56 -0.02 0.00 0.12 0.00 0.00 56.93 58.61 1i20 s PHE 3 Cb -0.22 -3.45 -0.04 0.00 -0.57 0.00 0.00 43.02 38.75 1i20 s PHE 3 CO 0.03 -2.41 0.62 -1.21 -0.10 0.00 0.00 175.22 172.15 1i20 s GLU 4 N -3.75 3.52 0.06 0.44 0.41 -1.26 -4.89 118.70 113.23 1i20 s GLU 4 Ca 0.75 -0.13 -0.17 0.00 -0.41 0.00 0.00 54.97 55.01 1i20 s GLU 4 Cb -0.29 -2.57 -0.06 0.00 -1.78 0.00 0.00 34.13 29.43 1i20 s GLU 4 CO 0.41 0.05 1.27 -0.09 -0.49 0.00 0.00 175.26 176.41 1i20 h ARG 5 N 0.70 -0.26 -0.44 1.61 2.43 -1.96 -2.30 114.38 114.16 1i20 h ARG 5 Ca -0.49 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1i20 h ARG 5 Cb 1.21 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 1i20 h ARG 5 CO 0.62 -0.18 0.26 0.00 -1.51 0.00 0.00 179.97 179.17 1i20 h GLU 7 N 0.60 0.91 -0.15 0.00 4.81 -1.91 0.64 114.58 119.47 1i20 h GLU 7 Ca 0.16 -0.16 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1i20 h GLU 7 Cb -0.03 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1i20 h GLU 7 CO -0.03 0.77 -0.73 1.25 -0.73 0.00 0.00 179.01 179.54 1i20 h LEU 8 N 0.85 0.82 -0.36 1.64 5.85 -1.00 -2.03 115.31 121.09 1i20 h LEU 8 Ca 0.20 -0.52 0.07 0.00 0.84 0.00 0.00 57.88 58.47 1i20 h LEU 8 Cb 0.20 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 1i20 h LEU 8 CO -0.02 1.30 -0.07 0.00 -0.34 0.00 0.00 178.44 179.31 1i20 h ALA 9 N 0.69 0.25 -0.69 1.25 0.00 -0.59 0.10 119.26 120.27 1i20 h ALA 9 Ca -0.04 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1i20 h ALA 9 Cb 1.34 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 1i20 h ALA 9 CO 0.14 -0.45 0.21 0.00 0.00 0.00 0.00 179.25 179.16 1i20 h ARG 10 N 0.02 1.08 -0.38 0.00 3.08 -0.83 -2.10 114.38 115.26 1i20 h ARG 10 Ca 0.17 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1i20 h ARG 10 Cb 0.26 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1i20 h ARG 10 CO -0.36 0.94 0.19 1.15 -1.07 0.00 0.00 179.97 180.82 1i20 h THR 11 N 1.02 1.16 -0.81 2.04 2.02 -0.67 -2.43 112.91 115.25 1i20 h THR 11 Ca 0.22 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1i20 h THR 11 Cb 0.31 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1i20 h THR 11 CO -0.01 0.17 0.38 -0.07 0.37 0.00 0.00 175.52 176.37 1i20 h LEU 12 N 0.47 1.06 0.02 2.58 3.38 -0.64 -1.77 115.31 120.41 1i20 h LEU 12 Ca 0.13 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1i20 h LEU 12 Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1i20 h LEU 12 CO -0.02 0.90 -0.07 0.50 0.09 0.00 0.00 178.44 179.85 1i20 h LYS 13 N 1.15 -0.12 -0.64 1.13 3.64 -1.18 -1.66 116.57 118.89 1i20 h LYS 13 Ca 0.28 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.76 1i20 h LYS 13 Cb 0.13 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1i20 h LYS 13 CO -0.03 -0.08 0.42 -0.09 -2.27 0.00 0.00 179.45 177.40 1i20 h ARG 14 N -0.13 0.48 -0.01 1.90 2.43 -1.22 -1.19 114.38 116.65 1i20 h ARG 14 Ca 0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1i20 h ARG 14 Cb 0.16 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1i20 h ARG 14 CO -0.06 0.32 0.00 1.28 -1.51 0.00 0.00 179.97 180.00 1i20 n LEU 15 N -4.48 0.13 -0.27 3.80 4.77 -0.68 -4.91 117.00 115.36 1i20 n LEU 15 Ca 0.10 -0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 56.01 1i20 n LEU 15 Cb 0.34 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1i20 n LEU 15 CO 0.34 0.02 -0.03 0.61 -1.33 0.00 0.00 177.39 177.00 1i20 n GLY 16 N 0.91 0.31 0.16 -0.72 0.00 -0.45 -4.98 105.19 100.43 1i20 n GLY 16 Ca 0.19 -0.81 0.10 0.00 0.00 0.00 0.00 46.02 45.50 1i20 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1i20 h MET 17 N 0.00 0.00 -6.09 1.61 2.86 -1.59 -3.41 114.93 108.31 1i20 h MET 17 Ca -0.06 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.00 1i20 h MET 17 Cb 0.91 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 1i20 h MET 17 CO 0.07 0.05 1.42 0.34 1.06 0.00 0.00 176.91 179.85 1i20 s ASP 18 N -5.83 5.61 0.00 1.22 2.15 -1.26 -1.94 116.67 116.61 1i20 s ASP 18 Ca 0.03 1.68 0.00 0.00 0.43 0.00 0.00 52.55 54.69 1i20 s ASP 18 Cb 0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1i20 s ASP 18 CO 0.74 -1.87 0.00 0.61 -0.17 0.00 0.00 175.17 174.47 1i20 n GLY 19 N 5.64 0.69 3.68 2.66 0.00 0.08 -4.89 105.19 113.05 1i20 n GLY 19 Ca 0.27 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.79 1i20 n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1i20 n TYR 20 N -2.56 2.23 -2.32 1.61 9.36 -0.82 -1.36 117.16 123.31 1i20 n TYR 20 Ca 0.00 0.12 -0.12 0.00 3.32 0.00 0.00 57.90 61.23 1i20 n TYR 20 Cb 0.00 -2.62 -0.01 0.00 -0.63 0.00 0.00 39.34 36.08 1i20 n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1i20 n ARG 21 N 6.50 -2.15 -0.54 2.98 5.12 -1.26 -0.78 116.66 126.52 1i20 n ARG 21 Ca 0.25 0.58 0.00 0.00 -1.93 0.00 0.00 57.85 56.75 1i20 n ARG 21 Cb 0.26 -5.13 0.00 0.00 -1.16 0.00 0.00 32.46 26.42 1i20 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i20 n GLY 22 N -0.72 0.72 3.46 -0.13 0.00 -0.46 -5.03 105.19 103.02 1i20 n GLY 22 Ca -0.14 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1i20 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i20 s ILE 23 N -2.00 4.78 0.68 -0.61 1.01 0.04 -4.92 121.20 120.18 1i20 s ILE 23 Ca 0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 1i20 s ILE 23 Cb 0.00 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 39.01 1i20 s ILE 23 CO 0.00 0.01 1.20 -0.94 0.00 0.00 0.00 174.94 175.21 1i20 s SER 24 N 1.64 4.63 0.24 3.58 1.04 -1.26 -0.74 113.70 122.82 1i20 s SER 24 Ca 0.05 2.34 -0.05 0.00 0.48 0.00 0.00 55.95 58.76 1i20 s SER 24 Cb -0.17 -2.59 0.41 0.00 0.10 0.00 0.00 66.02 63.77 1i20 s SER 24 CO 0.07 -1.97 1.74 0.25 0.98 0.00 0.00 173.24 174.31 1i20 h LEU 25 N 0.14 0.28 -1.59 2.42 5.85 -1.90 -0.90 115.31 119.61 1i20 h LEU 25 Ca -0.49 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.34 1i20 h LEU 25 Cb 1.29 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 1i20 h LEU 25 CO 0.52 0.13 0.28 0.00 -0.34 0.00 0.00 178.44 179.03 1i20 h ALA 26 N 1.51 1.72 -0.28 1.25 0.00 -1.91 -0.47 119.26 121.07 1i20 h ALA 26 Ca 0.39 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 1i20 h ALA 26 Cb 0.55 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1i20 h ALA 26 CO -0.37 0.26 -0.42 -0.91 0.00 0.00 0.00 179.25 177.81 1i20 h ASN 27 N 0.56 0.85 -0.07 0.00 2.35 -1.50 -1.45 115.58 116.32 1i20 h ASN 27 Ca 0.16 -0.51 -0.06 0.00 -0.55 0.00 0.00 56.30 55.34 1i20 h ASN 27 Cb -0.04 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 1i20 h ASN 27 CO -0.04 1.20 -0.11 -0.50 -1.65 0.00 0.00 177.43 176.34 1i20 h TRP 28 N 0.53 0.39 -0.28 1.19 4.06 -0.91 -1.37 115.95 119.56 1i20 h TRP 28 Ca 0.03 -0.05 -0.06 0.00 2.06 0.00 0.00 58.89 60.87 1i20 h TRP 28 Cb 1.02 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 29.06 1i20 h TRP 28 CO 0.08 0.48 -0.05 0.52 -3.56 0.00 0.00 178.44 175.90 1i20 h MET 29 N 0.35 0.53 -0.72 0.49 2.86 -0.89 -1.72 114.93 115.82 1i20 h MET 29 Ca 0.07 -0.19 0.07 0.00 -2.06 0.00 0.00 59.70 57.58 1i20 h MET 29 Cb 0.41 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 1i20 h MET 29 CO 0.02 0.72 0.41 0.00 1.06 0.00 0.00 176.91 179.12 1i20 h LEU 31 N 0.74 -1.11 -1.10 0.00 5.85 -1.11 -1.67 115.31 116.92 1i20 h LEU 31 Ca 0.33 0.07 0.17 0.00 0.84 0.00 0.00 57.88 59.29 1i20 h LEU 31 Cb 0.21 0.34 -0.09 0.00 0.37 0.00 0.00 40.66 41.49 1i20 h LEU 31 CO -0.19 -0.61 0.61 0.00 -0.34 0.00 0.00 178.44 177.91 1i20 h ALA 32 N -1.19 1.72 0.18 1.25 0.00 -1.06 0.38 119.26 120.55 1i20 h ALA 32 Ca -0.07 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1i20 h ALA 32 Cb 0.78 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1i20 h ALA 32 CO 0.03 -0.04 -0.09 -0.22 0.00 0.00 0.00 179.25 178.94 1i20 h LYS 33 N 0.77 -0.23 0.00 0.00 3.11 -0.72 -0.72 116.57 118.79 1i20 h LYS 33 Ca 0.53 0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 58.30 1i20 h LYS 33 Cb 0.81 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.08 1i20 h LYS 33 CO -0.31 -0.10 -0.42 -1.49 -2.81 0.00 0.00 179.45 174.33 1i20 h TRP 34 N -0.30 0.00 0.06 1.91 4.06 -0.58 -0.43 115.95 120.67 1i20 h TRP 34 Ca -0.02 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.75 1i20 h TRP 34 Cb 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 1i20 h TRP 34 CO -0.05 0.42 -0.89 0.93 -3.56 0.00 0.00 178.44 175.30 1i20 h GLU 35 N 0.00 0.13 0.00 0.49 4.39 -0.12 -3.42 114.58 116.05 1i20 h GLU 35 Ca -0.00 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1i20 h GLU 35 Cb 0.99 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1i20 h GLU 35 CO 0.05 1.11 0.00 -1.13 -1.16 0.00 0.00 179.01 177.88 1i20 n SER 36 N -4.26 0.71 -1.10 1.42 3.41 -0.32 -4.86 113.62 108.61 1i20 n SER 36 Ca -0.21 -0.97 -0.11 0.00 -0.26 0.00 0.00 58.87 57.32 1i20 n SER 36 Cb 0.72 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 1i20 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i20 n GLY 37 N 0.03 0.55 2.38 5.00 0.00 -0.17 -2.10 105.19 110.87 1i20 n GLY 37 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 1i20 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i20 n TYR 38 N -3.37 -0.19 -3.27 1.61 0.53 -1.15 -4.78 117.16 106.54 1i20 n TYR 38 Ca -0.13 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.34 1i20 n TYR 38 Cb 0.49 -2.68 -0.08 0.00 -1.03 0.00 0.00 39.34 36.04 1i20 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1i20 s ASN 39 N -2.71 6.30 0.46 7.72 3.84 -0.89 -1.42 114.94 128.23 1i20 s ASN 39 Ca 0.00 -0.05 0.29 0.00 0.21 0.00 0.00 52.86 53.31 1i20 s ASN 39 Cb 0.00 -2.26 1.07 0.00 -0.55 0.00 0.00 41.25 39.52 1i20 s ASN 39 CO 0.00 -0.45 1.85 0.71 -2.79 0.00 0.00 177.10 176.42 1i20 h THR 40 N 5.59 0.00 -0.17 -5.21 1.35 -1.49 -3.12 112.91 109.86 1i20 h THR 40 Ca -0.28 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1i20 h THR 40 Cb 1.13 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1i20 h THR 40 CO 0.76 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.92 1i20 n ARG 41 N -2.88 2.13 -1.81 4.72 1.85 -1.26 -3.99 116.66 115.41 1i20 n ARG 41 Ca 0.02 -1.68 -0.41 0.00 -1.00 0.00 0.00 57.85 54.78 1i20 n ARG 41 Cb 0.34 -1.47 -0.01 0.00 -1.05 0.00 0.00 32.46 30.28 1i20 n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1i20 s ALA 42 N -1.80 3.62 0.03 2.89 0.00 -1.18 -4.81 121.76 120.50 1i20 s ALA 42 Ca 0.34 1.56 -0.00 0.00 0.00 0.00 0.00 51.96 53.86 1i20 s ALA 42 Cb 0.20 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1i20 s ALA 42 CO 0.30 -1.02 -0.03 0.95 0.00 0.00 0.00 175.76 175.96 1i20 s THR 43 N -0.81 0.15 -0.12 0.00 -4.23 -1.26 -1.08 115.64 108.30 1i20 s THR 43 Ca 0.55 -1.04 -0.04 0.00 -1.18 0.00 0.00 61.69 59.98 1i20 s THR 43 Cb -0.46 -0.45 0.06 0.00 1.34 0.00 0.00 72.50 72.99 1i20 s THR 43 CO 0.58 -0.56 0.19 0.21 -0.54 0.00 0.00 174.62 174.51 1i20 s ASN 44 N -1.67 0.78 0.00 3.99 2.47 -1.02 -4.99 114.94 114.51 1i20 s ASN 44 Ca -0.13 0.30 -0.23 0.00 0.42 0.00 0.00 52.86 53.22 1i20 s ASN 44 Cb -0.08 0.39 -0.05 0.00 -1.45 0.00 0.00 41.25 40.07 1i20 s ASN 44 CO -0.02 -0.26 0.69 -0.47 -3.72 0.00 0.00 177.10 173.32 1i20 s TYR 45 N 2.33 3.68 -0.53 0.43 6.14 -1.26 -1.63 117.35 126.50 1i20 s TYR 45 Ca 0.03 1.33 -0.10 0.00 0.64 0.00 0.00 57.07 58.97 1i20 s TYR 45 Cb -0.13 -2.75 0.13 0.00 0.42 0.00 0.00 41.96 39.64 1i20 s TYR 45 CO -0.07 0.25 0.42 -0.80 0.64 0.00 0.00 175.55 175.99 1i20 s ASN 46 N 0.11 5.86 0.50 4.32 0.01 0.69 -4.93 114.94 121.50 1i20 s ASN 46 Ca 0.36 -2.04 0.17 0.00 -0.71 0.00 0.00 52.86 50.64 1i20 s ASN 46 Cb -0.19 -2.06 1.22 0.00 0.41 0.00 0.00 41.25 40.63 1i20 s ASN 46 CO 0.20 -0.69 2.09 0.00 -1.51 0.00 0.00 177.10 177.19 1i20 h ALA 47 N 8.37 1.81 -0.62 0.60 0.00 -1.96 0.01 119.26 127.47 1i20 h ALA 47 Ca -0.18 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.74 1i20 h ALA 47 Cb 1.07 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1i20 h ALA 47 CO 0.87 0.10 0.26 0.78 0.00 0.00 0.00 179.25 181.27 1i20 h GLY 48 N 0.25 0.88 0.00 0.00 0.00 -1.94 -3.25 103.07 99.01 1i20 h GLY 48 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1i20 h GLY 48 CO 0.01 0.02 0.00 2.09 0.00 0.00 0.00 176.54 178.66 1i20 n ASP 49 N -4.94 1.34 -0.29 0.19 5.75 -1.14 -5.03 116.55 112.44 1i20 n ASP 49 Ca 0.09 -1.60 -0.04 0.00 -0.01 0.00 0.00 54.79 53.22 1i20 n ASP 49 Cb 0.25 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.32 1i20 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1i20 n ARG 50 N -0.30 -0.80 -3.52 0.11 1.74 -0.02 -4.80 116.66 109.07 1i20 n ARG 50 Ca 0.00 0.47 -0.20 0.00 -0.77 0.00 0.00 57.85 57.35 1i20 n ARG 50 Cb 0.27 -4.23 -0.02 0.00 -1.02 0.00 0.00 32.46 27.46 1i20 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1i20 s SER 51 N -2.36 5.27 0.03 0.55 1.04 -1.20 -4.53 113.70 112.50 1i20 s SER 51 Ca 0.00 -0.59 0.05 0.00 0.48 0.00 0.00 55.95 55.89 1i20 s SER 51 Cb 0.00 -0.73 -0.02 0.00 0.10 0.00 0.00 66.02 65.37 1i20 s SER 51 CO 0.00 -0.58 -0.16 -0.89 0.98 0.00 0.00 173.24 172.59 1i20 s THR 52 N -2.39 1.27 -0.20 2.02 2.01 -1.26 -0.22 115.64 116.86 1i20 s THR 52 Ca 0.47 -0.98 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 1i20 s THR 52 Cb -0.05 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 1i20 s THR 52 CO 0.29 0.12 0.19 -1.81 -0.69 0.00 0.00 174.62 172.72 1i20 s ASP 53 N -0.99 6.26 -0.03 3.53 1.01 -0.65 -0.21 116.67 125.58 1i20 s ASP 53 Ca 0.04 0.29 0.04 0.00 0.71 0.00 0.00 52.55 53.63 1i20 s ASP 53 Cb -0.08 -2.12 -0.00 0.00 1.01 0.00 0.00 42.92 41.73 1i20 s ASP 53 CO 0.01 0.12 -0.15 -0.31 0.21 0.00 0.00 175.17 175.06 1i20 s TYR 54 N 0.58 1.45 0.00 4.23 2.02 0.29 -2.44 117.35 123.48 1i20 s TYR 54 Ca 0.11 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1i20 s TYR 54 Cb -0.12 -0.99 0.00 0.00 -0.40 0.00 0.00 41.96 40.45 1i20 s TYR 54 CO 0.01 -0.13 0.00 0.41 -1.57 0.00 0.00 175.55 174.27 1i20 n GLY 55 N 3.14 -1.41 0.37 0.71 0.00 -0.24 -1.56 105.19 106.20 1i20 n GLY 55 Ca -0.18 -1.29 0.12 0.00 0.00 0.00 0.00 46.02 44.68 1i20 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1i20 h ILE 56 N 0.00 0.76 -0.21 -0.61 2.10 -1.68 -1.83 117.51 116.04 1i20 h ILE 56 Ca 0.00 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.68 1i20 h ILE 56 Cb 0.00 -0.06 0.00 0.00 -1.09 0.00 0.00 36.82 35.67 1i20 h ILE 56 CO 0.00 0.14 0.00 0.49 -1.08 0.00 0.00 178.15 177.70 1i20 n PHE 57 N -4.67 0.26 -3.73 2.19 0.99 -1.26 -3.77 117.46 107.46 1i20 n PHE 57 Ca 0.21 -0.13 -0.31 0.00 -0.00 0.00 0.00 57.45 57.22 1i20 n PHE 57 Cb 0.53 -0.00 0.03 0.00 -1.00 0.00 0.00 39.48 39.04 1i20 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1i20 n GLN 58 N 1.37 -1.06 -2.72 -1.08 1.13 -0.69 -4.91 117.38 109.42 1i20 n GLN 58 Ca 0.16 0.52 -0.42 0.00 -1.94 0.00 0.00 57.00 55.33 1i20 n GLN 58 Cb 0.58 -3.55 -0.03 0.00 0.11 0.00 0.00 30.24 27.35 1i20 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1i20 s ILE 59 N -3.34 4.84 0.16 5.09 1.01 -0.60 -4.43 121.20 123.93 1i20 s ILE 59 Ca 0.35 2.01 -0.27 0.00 0.00 0.00 0.00 60.65 62.73 1i20 s ILE 59 Cb -0.15 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 37.95 1i20 s ILE 59 CO 0.88 0.09 0.85 0.21 0.00 0.00 0.00 174.94 176.97 1i20 s ASN 60 N 1.05 7.46 0.00 3.58 3.84 -1.26 -0.54 114.94 129.06 1i20 s ASN 60 Ca 0.49 1.73 0.18 0.00 0.21 0.00 0.00 52.86 55.47 1i20 s ASN 60 Cb -0.19 -2.54 0.85 0.00 -0.55 0.00 0.00 41.25 38.82 1i20 s ASN 60 CO 0.22 0.13 1.56 -1.54 -2.79 0.00 0.00 177.10 174.69 1i20 n SER 61 N 1.88 0.00 0.03 -4.21 3.41 0.71 -2.22 113.62 113.22 1i20 n SER 61 Ca -0.03 0.24 -0.05 0.00 -0.26 0.00 0.00 58.87 58.76 1i20 n SER 61 Cb 0.48 -0.38 0.15 0.00 -0.26 0.00 0.00 64.21 64.21 1i20 n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1i20 h ARG 62 N 0.00 0.45 0.00 4.33 2.43 -1.83 -3.41 114.38 116.35 1i20 h ARG 62 Ca 0.00 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1i20 h ARG 62 Cb 0.23 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1i20 h ARG 62 CO 0.00 0.77 -0.83 0.66 -1.51 0.00 0.00 179.97 179.07 1i20 n TYR 63 N -4.04 0.00 -0.07 2.20 4.02 -1.19 0.16 117.16 118.25 1i20 n TYR 63 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.74 1i20 n TYR 63 Cb 0.49 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.67 1i20 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1i20 n TRP 64 N -1.97 0.48 -4.19 -0.72 7.02 -0.94 -0.41 117.44 116.71 1i20 n TRP 64 Ca 0.00 0.14 -0.11 0.00 -1.02 0.00 0.00 57.50 56.50 1i20 n TRP 64 Cb 0.41 -1.08 -0.10 0.00 -2.42 0.00 0.00 31.31 28.13 1i20 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1i20 s ASN 66 N -3.07 6.22 0.00 0.00 2.47 -0.10 -4.57 114.94 115.88 1i20 s ASN 66 Ca 0.13 0.24 0.08 0.00 0.42 0.00 0.00 52.86 53.73 1i20 s ASN 66 Cb 0.05 -2.15 0.05 0.00 -1.45 0.00 0.00 41.25 37.75 1i20 s ASN 66 CO -0.03 -0.00 0.72 -0.90 -3.72 0.00 0.00 177.10 173.16 1i20 n ASP 67 N 4.46 1.56 0.00 -4.21 5.75 -1.26 -1.71 116.55 121.14 1i20 n ASP 67 Ca -0.12 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 1i20 n ASP 67 Cb 0.52 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1i20 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i20 n GLY 68 N 0.52 1.42 0.71 6.12 0.00 -1.26 -4.66 105.19 108.04 1i20 n GLY 68 Ca 0.04 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1i20 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1i20 n LYS 69 N 0.00 1.97 -3.28 1.61 2.85 -1.26 -4.88 118.16 115.16 1i20 n LYS 69 Ca 0.00 -1.42 -0.39 0.00 -1.05 0.00 0.00 58.31 55.45 1i20 n LYS 69 Cb 0.00 -1.46 -0.06 0.00 -0.65 0.00 0.00 35.03 32.86 1i20 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1i20 s THR 70 N -1.88 5.15 0.24 0.58 2.01 -1.26 -4.97 115.64 115.50 1i20 s THR 70 Ca 0.34 0.94 -0.30 0.00 0.31 0.00 0.00 61.69 62.98 1i20 s THR 70 Cb 0.20 -3.82 -0.09 0.00 0.01 0.00 0.00 72.50 68.79 1i20 s THR 70 CO 0.31 0.24 1.32 -2.84 -0.69 0.00 0.00 174.62 172.96 1i20 s PRO 71 N 1.19 4.38 -1.58 4.92 0.02 -1.26 -3.34 135.00 139.32 1i20 s PRO 71 Ca 0.24 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.38 1i20 s PRO 71 Cb -0.15 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.22 1i20 s PRO 71 CO 0.10 -0.23 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 1i20 n GLY 72 N 1.90 1.51 3.95 0.52 0.00 -1.26 -4.97 105.19 106.83 1i20 n GLY 72 Ca 0.04 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 1i20 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i20 s ALA 73 N -2.56 3.56 0.39 4.61 0.00 -1.21 -4.99 121.76 121.56 1i20 s ALA 73 Ca 0.00 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 50.98 1i20 s ALA 73 Cb 0.00 -2.33 -0.08 0.00 0.00 0.00 0.00 23.12 20.72 1i20 s ALA 73 CO 0.00 -0.84 -0.00 0.14 0.00 0.00 0.00 175.76 175.06 1i20 s VAL 74 N -2.90 1.91 -0.52 0.00 -7.23 0.12 -4.98 120.40 106.81 1i20 s VAL 74 Ca 0.56 -2.03 0.06 0.00 -1.81 0.00 0.00 61.98 58.76 1i20 s VAL 74 Cb -0.10 -2.91 0.23 0.00 0.56 0.00 0.00 36.38 34.16 1i20 s VAL 74 CO 0.41 -0.04 0.57 -3.20 -0.31 0.00 0.00 175.10 172.54 1i20 n ASN 75 N -0.90 1.70 -0.20 4.85 5.15 -1.21 -3.60 115.26 121.05 1i20 n ASN 75 Ca -0.05 -2.98 0.09 0.00 -0.60 0.00 0.00 54.58 51.05 1i20 n ASN 75 Cb 0.66 -0.65 0.39 0.00 -0.53 0.00 0.00 39.78 39.65 1i20 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i20 h ALA 76 N 4.45 1.80 -0.01 5.20 0.00 -0.72 -1.94 119.26 128.05 1i20 h ALA 76 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1i20 h ALA 76 Cb 0.79 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1i20 h ALA 76 CO 0.61 0.04 -0.01 0.00 0.00 0.00 0.00 179.25 179.89 1i20 n HIS 78 N -0.59 -2.12 -4.11 0.00 -0.00 -0.73 -4.98 115.22 102.69 1i20 n HIS 78 Ca 0.21 0.88 -0.11 0.00 -0.00 0.00 0.00 57.72 58.70 1i20 n HIS 78 Cb 0.21 -4.32 -0.11 0.00 -0.00 0.00 0.00 29.99 25.78 1i20 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1i20 s LEU 79 N -6.91 2.39 0.29 2.41 1.43 -1.26 -5.05 118.68 111.98 1i20 s LEU 79 Ca 0.26 -0.80 -0.25 0.00 -1.03 0.00 0.00 54.13 52.32 1i20 s LEU 79 Cb -0.13 -0.08 -0.09 0.00 0.03 0.00 0.00 46.19 45.92 1i20 s LEU 79 CO 0.81 -0.36 0.88 -0.55 0.23 0.00 0.00 176.35 177.36 1i20 s SER 80 N -2.37 7.29 0.57 2.29 0.15 -1.26 -0.93 113.70 119.44 1i20 s SER 80 Ca 0.01 1.73 0.27 0.00 0.70 0.00 0.00 55.95 58.66 1i20 s SER 80 Cb -0.01 -2.54 1.54 0.00 -1.71 0.00 0.00 66.02 63.29 1i20 s SER 80 CO -0.03 -0.02 2.05 0.00 1.20 0.00 0.00 173.24 176.44 1i20 h SER 82 N 0.00 0.69 -0.07 0.00 0.87 -1.90 -1.92 113.55 111.22 1i20 h SER 82 Ca 0.14 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1i20 h SER 82 Cb 0.67 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1i20 h SER 82 CO -0.00 0.39 0.11 0.00 -0.53 0.00 0.00 176.83 176.80 1i20 h ALA 83 N 1.59 1.50 -0.29 6.23 0.00 -1.30 -0.88 119.26 126.11 1i20 h ALA 83 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1i20 h ALA 83 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1i20 h ALA 83 CO -0.17 -0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.22 1i20 n LEU 84 N -3.58 1.67 -0.37 0.00 4.77 -0.72 -3.80 117.00 114.97 1i20 n LEU 84 Ca -0.01 -0.82 0.03 0.00 -0.03 0.00 0.00 56.01 55.19 1i20 n LEU 84 Cb 0.20 -0.19 0.08 0.00 -2.33 0.00 0.00 43.42 41.18 1i20 n LEU 84 CO 0.25 0.41 0.54 0.18 -1.33 0.00 0.00 177.39 177.43 1i20 n LEU 85 N 0.40 2.39 -4.84 2.23 4.77 -0.33 -3.61 117.00 118.01 1i20 n LEU 85 Ca 0.11 -1.83 -0.30 0.00 -0.03 0.00 0.00 56.01 53.96 1i20 n LEU 85 Cb 0.27 -0.12 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1i20 n LEU 85 CO 0.08 0.59 0.73 -1.10 -1.33 0.00 0.00 177.39 176.35 1i20 s GLN 86 N -0.93 2.72 0.48 3.23 -0.21 -1.25 -4.59 119.66 119.11 1i20 s GLN 86 Ca 0.13 0.66 0.27 0.00 0.02 0.00 0.00 55.36 56.44 1i20 s GLN 86 Cb 0.07 -1.99 0.82 0.00 1.00 0.00 0.00 33.01 32.91 1i20 s GLN 86 CO 0.09 -1.18 1.78 -0.44 -2.12 0.00 0.00 175.29 173.43 1i20 h ASP 87 N -0.76 0.00 -3.24 5.90 3.32 -1.94 -3.44 116.42 116.26 1i20 h ASP 87 Ca -0.45 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.02 1i20 h ASP 87 Cb 1.24 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 1i20 h ASP 87 CO 0.61 0.05 -0.03 0.21 -1.72 0.00 0.00 179.24 178.36 1i20 s ASN 88 N -6.01 7.05 -0.24 6.45 3.84 -1.26 -4.84 114.94 119.94 1i20 s ASN 88 Ca 0.04 1.25 0.14 0.00 0.21 0.00 0.00 52.86 54.49 1i20 s ASN 88 Cb 0.07 -2.36 0.66 0.00 -0.55 0.00 0.00 41.25 39.07 1i20 s ASN 88 CO 0.62 0.26 1.61 2.30 -2.79 0.00 0.00 177.10 179.09 1i20 n ILE 89 N 1.82 2.60 -0.23 -5.21 -5.35 -1.26 -4.64 119.36 107.10 1i20 n ILE 89 Ca -0.10 -1.79 -0.05 0.00 -0.27 0.00 0.00 62.75 60.53 1i20 n ILE 89 Cb 0.51 -0.29 0.05 0.00 -1.74 0.00 0.00 39.64 38.16 1i20 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1i20 h ALA 90 N 2.47 0.82 -0.35 -1.28 0.00 -1.95 -1.73 119.26 117.24 1i20 h ALA 90 Ca 0.09 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1i20 h ALA 90 Cb 1.83 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1i20 h ALA 90 CO 0.44 0.23 -0.42 -0.44 0.00 0.00 0.00 179.25 179.06 1i20 h ASP 91 N 0.86 0.95 -0.74 0.00 3.45 -1.87 -1.78 116.42 117.29 1i20 h ASP 91 Ca 0.24 -0.45 -0.01 0.00 0.43 0.00 0.00 57.03 57.24 1i20 h ASP 91 Cb -0.08 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 38.39 1i20 h ASP 91 CO -0.06 1.24 0.42 0.44 -1.57 0.00 0.00 179.24 179.71 1i20 h ASP 92 N 0.72 0.91 -0.18 6.45 5.19 -1.81 -1.23 116.42 126.46 1i20 h ASP 92 Ca 0.05 -0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.34 1i20 h ASP 92 Cb 1.00 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.28 1i20 h ASP 92 CO 0.10 0.73 -0.04 0.58 -3.12 0.00 0.00 179.24 177.49 1i20 h VAL 93 N 1.02 1.28 0.00 -1.35 2.07 -1.24 0.98 116.25 119.01 1i20 h VAL 93 Ca 0.26 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 1i20 h VAL 93 Cb 0.00 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1i20 h VAL 93 CO -0.05 0.30 -0.33 0.00 0.02 0.00 0.00 177.57 177.52 1i20 h ALA 94 N 0.73 1.43 0.14 1.67 0.00 -1.00 -1.98 119.26 120.25 1i20 h ALA 94 Ca 0.05 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 54.35 1i20 h ALA 94 Cb 0.47 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.24 1i20 h ALA 94 CO 0.02 0.41 -1.28 0.00 0.00 0.00 0.00 179.25 178.39 1i20 h ALA 96 N 0.28 1.65 -0.40 0.00 0.00 -0.55 -0.38 119.26 119.86 1i20 h ALA 96 Ca -0.20 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1i20 h ALA 96 Cb 1.96 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 1i20 h ALA 96 CO 0.24 0.26 -0.10 0.87 0.00 0.00 0.00 179.25 180.52 1i20 h LYS 97 N 0.06 0.71 -0.43 0.00 1.57 -1.35 -2.69 116.57 114.43 1i20 h LYS 97 Ca 0.01 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 1i20 h LYS 97 Cb 0.34 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1i20 h LYS 97 CO 0.02 0.79 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.51 1i20 h ARG 98 N 0.65 0.82 0.06 3.15 9.65 -0.99 -2.86 114.38 124.86 1i20 h ARG 98 Ca 0.11 -0.31 0.01 0.00 -1.10 0.00 0.00 59.98 58.70 1i20 h ARG 98 Cb 0.56 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.07 1i20 h ARG 98 CO 0.03 0.94 -0.13 0.28 2.80 0.00 0.00 179.97 183.89 1i20 h VAL 99 N 0.65 0.69 0.00 0.20 2.07 -0.89 -2.21 116.25 116.76 1i20 h VAL 99 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1i20 h VAL 99 Cb 0.62 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1i20 h VAL 99 CO 0.04 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.96 1i20 n VAL 100 N -5.26 0.99 0.94 2.57 0.24 -1.03 -1.98 118.33 114.80 1i20 n VAL 100 Ca -0.06 0.25 0.11 0.00 -2.04 0.00 0.00 64.34 62.59 1i20 n VAL 100 Cb 0.18 -1.02 0.53 0.00 -1.47 0.00 0.00 33.84 32.06 1i20 n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1i20 n ARG 101 N -1.46 0.19 -3.25 7.34 1.74 -0.83 -4.12 116.66 116.28 1i20 n ARG 101 Ca 0.04 0.09 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 1i20 n ARG 101 Cb 0.15 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 1i20 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1i20 s ASP 102 N -2.75 6.37 0.26 0.55 -0.00 -0.84 -4.96 116.67 115.29 1i20 s ASP 102 Ca 0.17 0.66 -0.10 0.00 -0.00 0.00 0.00 52.55 53.28 1i20 s ASP 102 Cb 0.15 -2.12 0.39 0.00 -0.00 0.00 0.00 42.92 41.33 1i20 s ASP 102 CO 0.37 -0.28 1.51 -2.65 -0.00 0.00 0.00 175.17 174.11 1i20 n PRO 103 N -1.40 -0.12 0.17 8.23 -0.01 -1.26 -0.31 135.00 140.30 1i20 n PRO 103 Ca -0.02 1.50 0.15 0.00 -0.01 0.00 0.00 63.50 65.12 1i20 n PRO 103 Cb 0.55 -2.24 0.74 0.00 -0.01 0.00 0.00 33.50 32.53 1i20 n PRO 103 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 175.50 177.45 1i20 h GLN 104 N 0.00 0.00 0.00 -0.52 4.20 -1.91 -3.47 115.11 113.41 1i20 h GLN 104 Ca 0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1i20 h GLN 104 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1i20 h GLN 104 CO -0.99 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 177.58 1i20 n GLY 105 N -1.51 1.82 0.33 3.46 0.00 0.57 -2.35 105.19 107.51 1i20 n GLY 105 Ca 0.02 -0.56 0.18 0.00 0.00 0.00 0.00 46.02 45.66 1i20 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1i20 h ILE 106 N 0.00 0.25 0.00 -0.61 6.09 -1.90 -2.40 117.51 118.95 1i20 h ILE 106 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1i20 h ILE 106 Cb 0.00 0.88 0.00 0.00 0.47 0.00 0.00 36.82 38.17 1i20 h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1i20 n ARG 107 N -3.43 0.12 0.33 2.19 1.74 -0.99 -2.24 116.66 114.38 1i20 n ARG 107 Ca -0.01 0.45 0.22 0.00 -0.77 0.00 0.00 57.85 57.74 1i20 n ARG 107 Cb 0.22 -1.78 1.17 0.00 -1.02 0.00 0.00 32.46 31.05 1i20 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i20 h ALA 108 N 2.21 1.01 -2.71 7.54 0.00 -1.57 -3.36 119.26 122.37 1i20 h ALA 108 Ca 0.00 -0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 1i20 h ALA 108 Cb 0.21 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.78 1i20 h ALA 108 CO 0.00 0.00 -0.49 -1.58 0.00 0.00 0.00 179.25 177.18 1i20 s TRP 109 N -4.11 3.23 0.41 0.00 0.51 -0.95 -4.95 118.94 113.07 1i20 s TRP 109 Ca -0.04 -0.59 0.09 0.00 -2.12 0.00 0.00 56.10 53.44 1i20 s TRP 109 Cb 0.13 -2.47 0.86 0.00 -0.81 0.00 0.00 33.47 31.17 1i20 s TRP 109 CO 0.43 -0.52 1.99 -0.24 -0.51 0.00 0.00 176.95 178.09 1i20 h VAL 110 N 5.67 1.13 0.00 4.03 3.04 -1.88 -2.07 116.25 126.17 1i20 h VAL 110 Ca -0.29 -0.50 -0.02 0.00 -1.01 0.00 0.00 66.70 64.88 1i20 h VAL 110 Cb 1.13 0.96 -0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1i20 h VAL 110 CO 0.67 0.17 -0.08 0.00 -1.01 0.00 0.00 177.57 177.31 1i20 h ALA 111 N 1.71 1.37 -0.55 3.17 0.00 -1.93 -1.77 119.26 121.25 1i20 h ALA 111 Ca 0.07 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1i20 h ALA 111 Cb 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1i20 h ALA 111 CO 0.00 0.10 0.05 2.35 0.00 0.00 0.00 179.25 181.76 1i20 h TRP 112 N 0.00 1.01 -0.24 0.00 7.01 -1.69 0.12 115.95 122.17 1i20 h TRP 112 Ca -0.00 -0.16 -0.02 0.00 2.11 0.00 0.00 58.89 60.83 1i20 h TRP 112 Cb 0.23 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 1i20 h TRP 112 CO 0.00 0.91 0.09 0.00 -2.79 0.00 0.00 178.44 176.64 1i20 h ARG 113 N 0.83 0.36 -0.48 2.65 3.08 -1.43 0.32 114.38 119.70 1i20 h ARG 113 Ca 0.16 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 1i20 h ARG 113 Cb 0.47 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1i20 h ARG 113 CO 0.02 0.43 -0.08 -0.91 -1.07 0.00 0.00 179.97 178.36 1i20 h ASN 114 N 0.23 0.91 0.00 7.04 2.35 -1.38 -3.34 115.58 121.39 1i20 h ASN 114 Ca 0.08 -0.34 -0.05 0.00 -0.55 0.00 0.00 56.30 55.44 1i20 h ASN 114 Cb 0.21 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1i20 h ASN 114 CO -0.00 1.04 -1.70 0.54 -1.65 0.00 0.00 177.43 175.65 1i20 n ARG 115 N -4.26 0.70 -0.00 0.81 5.12 0.41 -4.86 116.66 114.58 1i20 n ARG 115 Ca 0.00 -0.11 -0.01 0.00 -1.93 0.00 0.00 57.85 55.81 1i20 n ARG 115 Cb 0.37 -1.34 -0.00 0.00 -1.16 0.00 0.00 32.46 30.32 1i20 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i20 n GLN 117 N -2.35 2.52 -2.23 0.00 7.27 0.48 -2.53 117.38 120.54 1i20 n GLN 117 Ca -0.01 0.89 -0.20 0.00 0.07 0.00 0.00 57.00 57.74 1i20 n GLN 117 Cb 0.52 -2.62 -0.03 0.00 2.41 0.00 0.00 30.24 30.52 1i20 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1i20 n ASN 118 N 1.62 -5.75 -4.54 1.69 5.03 -1.26 -4.98 115.26 107.07 1i20 n ASN 118 Ca 0.07 0.09 -0.25 0.00 0.87 0.00 0.00 54.58 55.35 1i20 n ASN 118 Cb 0.36 -4.82 -0.11 0.00 -1.02 0.00 0.00 39.78 34.20 1i20 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1i20 s ARG 119 N -4.76 1.81 -0.67 3.52 1.81 -1.05 -5.05 118.95 114.56 1i20 s ARG 119 Ca 0.00 -1.98 -0.27 0.00 -1.72 0.00 0.00 55.73 51.76 1i20 s ARG 119 Cb 0.00 -1.48 0.03 0.00 -0.45 0.00 0.00 34.95 33.06 1i20 s ARG 119 CO 0.00 0.01 1.22 0.34 -0.68 0.00 0.00 175.30 176.19 1i20 s ASP 120 N -3.60 6.28 0.00 0.23 -1.08 -1.26 -4.86 116.67 112.37 1i20 s ASP 120 Ca 0.34 -0.26 0.22 0.00 -0.52 0.00 0.00 52.55 52.33 1i20 s ASP 120 Cb 0.06 -2.55 0.52 0.00 -1.46 0.00 0.00 42.92 39.49 1i20 s ASP 120 CO 0.16 -1.67 1.45 1.33 0.52 0.00 0.00 175.17 176.96 1i20 n VAL 121 N 6.46 0.59 0.05 1.11 0.24 -1.26 -4.47 118.33 121.05 1i20 n VAL 121 Ca 0.05 -0.74 0.18 0.00 -2.04 0.00 0.00 64.34 61.78 1i20 n VAL 121 Cb 0.49 0.74 0.68 0.00 -1.47 0.00 0.00 33.84 34.28 1i20 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1i20 h ARG 122 N 4.02 0.00 -0.35 7.34 3.08 -1.92 -0.91 114.38 125.64 1i20 h ARG 122 Ca 0.00 -0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 1i20 h ARG 122 Cb 0.90 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1i20 h ARG 122 CO 0.00 0.00 0.28 -0.56 -1.07 0.00 0.00 179.97 178.62 1i20 h GLN 123 N 0.00 0.00 0.00 0.04 3.07 -1.98 -1.18 115.11 115.06 1i20 h GLN 123 Ca 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.92 1i20 h GLN 123 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.39 1i20 h GLN 123 CO -0.00 0.00 -0.13 1.88 0.09 0.00 0.00 178.83 180.67 1i20 h TYR 124 N 0.00 0.00 -0.02 0.06 0.05 -1.50 -3.10 116.97 112.46 1i20 h TYR 124 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1i20 h TYR 124 Cb 0.72 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.46 1i20 h TYR 124 CO 0.00 0.13 0.00 1.33 -1.05 0.00 0.00 178.16 178.57 1i20 n VAL 125 N -3.33 0.77 -2.11 -2.88 0.24 -0.53 -4.85 118.33 105.64 1i20 n VAL 125 Ca -0.00 -0.88 -0.41 0.00 -2.04 0.00 0.00 64.34 61.01 1i20 n VAL 125 Cb 0.34 0.62 -0.02 0.00 -1.47 0.00 0.00 33.84 33.31 1i20 n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i20 s GLN 126 N -0.79 4.33 -0.15 7.34 -2.07 -0.70 -2.52 119.66 125.10 1i20 s GLN 126 Ca 0.02 2.22 0.00 0.00 -1.82 0.00 0.00 55.36 55.78 1i20 s GLN 126 Cb 0.01 -3.05 0.00 0.00 -1.09 0.00 0.00 33.01 28.88 1i20 s GLN 126 CO 0.01 -0.21 0.00 0.41 -1.32 0.00 0.00 175.29 174.18 1i20 n GLY 127 N 0.78 0.37 0.30 2.60 0.00 -1.26 -4.89 105.19 103.09 1i20 n GLY 127 Ca 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1i20 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i20 n GLY 129 N 1.35 0.24 0.28 0.00 0.00 -1.26 -4.81 105.19 100.99 1i20 n GLY 129 Ca 0.12 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.48 1i20 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65